N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-6-[2-(2-methylphenyl)ethynyl]-2H-chromene-8-carboxamide

Systemtic Name: N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-6-[2-(2-methylphenyl)ethynyl]-2H-chromene-8-carboxamide Openeye Name: N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-6-[2-(o-tolyl)ethynyl]-2H-chromene-8-carboxamide CAS Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methylphenyl)ethynyl]-2H-1-benzopyran-8-carboxamide IUPAC Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methylphenyl)ethynyl]-2H-chromene-8-carboxamide Traditional Name: N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-6-[2-(o-tolyl)ethynyl]-2H-chromene-8-carboxamide Formula: C30H26N2O3 MolecularWeight: 462.53904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C#CC2=CC3=C(C(=C2)C(=O)NC(CC4=CNC5=CC=CC=C54)CO)OCC=C3

Isomeric SMILES

CC1=CC=CC=C1C#CC2=CC3=C(C(=C2)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)CO)OCC=C3

InChI

InChI=1S/C30H26N2O3/c1-20-7-2-3-8-22(20)13-12-21-15-23-9-6-14-35-29(23)27(16-21)30(34)32-25(19-33)17-24-18-31-28-11-5-4-10-26(24)28/h2-11,15-16,18,25,31,33H,14,17,19H2,1H3,(H,32,34)/t25-/m1/s1